SCHEMBL14473784

SCHEMBL14473784

CCCCC(C)(C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.41
▸ VDR P11473 7/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1039872 0.86 CYP19A1 (0.45) CYP19A1VDR
SCHEMBL13243996 0.86 CYP19A1 (0.45) CYP19A1VDR
SCHEMBL19773983 0.86 CYP19A1 (0.45) CYP19A1VDR
SCHEMBL12600213 0.86 CYP19A1 (0.45) CYP19A1VDR
SCHEMBL8992693 0.78 CYP19A1 (0.36) CYP19A1VDR
SCHEMBL8992696 0.78 CYP19A1 (0.36) CYP19A1VDR
SCHEMBL3258798 0.76 VDR (0.41) CYP19A1VDR
SCHEMBL3258795 0.76 VDR (0.41) CYP19A1VDR
SCHEMBL3297400 0.76 VDR (0.41) CYP19A1VDR
SCHEMBL8992724 0.75 CYP19A1 (0.39) CYP19A1VDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244719-B2 2-methylene-19,26,27-trinor-(20S)-1α-hydroxyvitamin D3 and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-17 — — US disclosed
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